| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 24 | Yes |
Popular Name: (2S,4S)-4-amino-1-(4-amino-6-fluoro-quinoline-3-carbonyl)-N-methyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-(4-amino-6-flu…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.14 | -0.22 | -65.67 | 6 | 7 | 1 | 116 | 332.359 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.14 | -0.5 | -15.03 | 5 | 7 | 0 | 114 | 331.351 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.14 | 0.2 | -115.67 | 7 | 7 | 2 | 117 | 333.367 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
